N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N-methyl-5-phenyl-1,2,4-oxadiazol-3-amine

C19H19N3O2 — CID 154801224

IUPACN-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N-methyl-5-phenyl-1,2,4-oxadiazol-3-amine
SMILESCN(CC1OCCc2ccccc21)c1noc(-c2ccccc2)n1
InChIInChI=1S/C19H19N3O2/c1-22(13-17-16-10-6-5-7-14(16)11-12-23-17)19-20-18(24-21-19)15-8-3-2-4-9-15/h2-10,17H,11-13H2,1H3
InChIKeyUFCWMGBAAVPLML-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.49
Rot. Bonds4

About N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N-methyl-5-phenyl-1,2,4-oxadiazol-3-amine

N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N-methyl-5-phenyl-1,2,4-oxadiazol-3-amine (PubChem CID 154801224) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N-methyl-5-phenyl-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N-methyl-5-phenyl-1,2,4-oxadiazol-3-amine
PubChem CID154801224
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N-methyl-5-phenyl-1,2,4-oxadiazol-3-amine
SMILESCN(CC1OCCc2ccccc21)c1noc(-c2ccccc2)n1
InChIInChI=1S/C19H19N3O2/c1-22(13-17-16-10-6-5-7-14(16)11-12-23-17)19-20-18(24-21-19)15-8-3-2-4-9-15/h2-10,17H,11-13H2,1H3
InChIKeyUFCWMGBAAVPLML-UHFFFAOYSA-N
XLogP3.49
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N-methyl-5-phenyl-1,2,4-oxadiazol-3-amine?
The IUPAC name of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N-methyl-5-phenyl-1,2,4-oxadiazol-3-amine (CID 154801224) is N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N-methyl-5-phenyl-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N-methyl-5-phenyl-1,2,4-oxadiazol-3-amine?
The canonical SMILES for N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N-methyl-5-phenyl-1,2,4-oxadiazol-3-amine is CN(CC1OCCc2ccccc21)c1noc(-c2ccccc2)n1.
What is the InChIKey of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N-methyl-5-phenyl-1,2,4-oxadiazol-3-amine?
The InChIKey is UFCWMGBAAVPLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-22(13-17-16-10-6-5-7-14(16)11-12-23-17)19-20-18(24-21-19)15-8-3-2-4-9-15/h2-10,17H,11-13H2,1H3.
What are the key properties of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N-methyl-5-phenyl-1,2,4-oxadiazol-3-amine?
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N-methyl-5-phenyl-1,2,4-oxadiazol-3-amine has a molecular weight of 321.38 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N-methyl-5-phenyl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 154801224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).